3-[4-(3,7-Dimethylocta-2,6-dienoxy)phenyl]-7-hydroxychromen-4-one
| Internal ID | e68352ea-9555-4728-9921-d3f915056f31 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 3-[4-(3,7-dimethylocta-2,6-dienoxy)phenyl]-7-hydroxychromen-4-one |
| SMILES (Canonical) | CC(=CCCC(=CCOC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCOC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)C)C |
| InChI | InChI=1S/C25H26O4/c1-17(2)5-4-6-18(3)13-14-28-21-10-7-19(8-11-21)23-16-29-24-15-20(26)9-12-22(24)25(23)27/h5,7-13,15-16,26H,4,6,14H2,1-3H3 |
| InChI Key | UUEYVEYMQGMMQG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O4 |
| Molecular Weight | 390.50 g/mol |
| Exact Mass | 390.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 3-[4-(3,7-Dimethylocta-2,6-dienoxy)phenyl]-7-hydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-4-37-dimethylocta-26-dienoxyphenyl-7-hydroxychromen-4-one.jpg "2D Structure of 3-[4-(3,7-Dimethylocta-2,6-dienoxy)phenyl]-7-hydroxychromen-4-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.00% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.65% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.39% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.42% | 89.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 94.33% | 98.35% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.92% | 86.33% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 93.76% | 96.12% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.79% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.57% | 92.08% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.01% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.09% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.59% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.96% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.25% | 91.71% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.82% | 93.31% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.57% | 93.10% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.47% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.96% | 90.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.74% | 93.65% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.55% | 86.92% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Millettia conraui |
| PubChem | 162959156 |
| LOTUS | LTS0067433 |
| wikiData | Q105279288 |